Geometry & MOs

Info

ID:	237466
PubChem CID:	92719281
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-28.4
Dipole, Da:	5.44
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-5-methyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-7-phenyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2[C@@H]1C3=CC=CC=C3)CC(=O)NCC4=CC=C(C=C4)C)C

DOS

IR

Vibrations